6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6,7-dimethoxy-quinazoline CAS Name: 6,7-dimethoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6,7-dimethoxyquinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6,7-dimethoxy-quinazoline Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C21H24N4O2/c1-26-19-12-17-18(13-20(19)27-2)22-15-23-21(17)25-10-8-24(9-11-25)14-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3/p+1